SCHEMBL22199546

SCHEMBL22199546

Oc1ccc(C2(c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.45
MMP3 P08254 1/20 0.38
BCL2L1 Q07817 1/20 0.38
ESR1 P03372 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR2 Q92731 5/20 0.36
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
APP P05067 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX5 P09917 1/20 0.33
NTSR1 P30989 1/20 0.33
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4D Q08499 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12978477 0.91 PDK2 (0.41) PDK2MEN1KMT2ACYP2D6CYP2C9
SCHEMBL30450697 0.91 PDK2 (0.40) PDK2MEN1KMT2AAPPCYP2D6
SCHEMBL21587279 0.91 PDK2 (0.40) PDK2MEN1KMT2AAPPCYP2D6
SCHEMBL22197331 0.90 PDK2 (0.36) PDK2ESR1MEN1KMT2AESR2
SCHEMBL13937776 0.90 PDK2 (0.42) PDK2MEN1KMT2ACYP2D6CYP2C9
SCHEMBL22211065 0.90 PDK2 (0.41) PDK2MMP3BCL2L1ESR1MEN1
SCHEMBL12531957 0.88 PDK2 (0.37) PDK2ESR1MEN1KMT2AESR2
SCHEMBL17461758 0.88 PDK2 (0.38) PDK2MEN1KMT2AAPPCYP2D6
SCHEMBL17790273 0.88 PDK2 (0.43) PDK2MEN1KMT2ACYP2D6CYP2C9
SCHEMBL18167751 0.88 PDK2 (0.51) PDK2MMP3BCL2L1ESR1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472901-B2 Polymer, coating composition comprising same, and organic light-emitting device using same LG CHEM, LTD. 2022-10-18 US disclosed
US-20200239610-A1 Polymer, Coating Composition Comprising Same, and Organic Light-Emitting Device Using Same LG CHEM, LTD. (KR) 2020-07-30 US disclosed
EP-3677606-A1 POLYMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2020-07-08 EP disclosed